388 Accelerated Discovery and Development of Inorganic Materials

Tuesday, November 15, 2016: 3:15 PM - 5:45 PM
Golden Gate 4 (Hilton San Francisco Union Square)
Description:
This session targets the increasing work on high-throughput computational/experimental screening, selection, evaluation, and genomics of inorganic materials.

Sponsor:
Inorganic Materials

Chair:
Sankar Nair
Email: sankar.nair@chbe.gatech.edu

Co-chairs:
Seok-Jhin Kim
Email: seokjhin.kim@okstate.edu

Dongxia Liu
Email: liud@umd.edu


3:15 PM
(388a) High Throughput Analysis of Alloy Corrosion Across Composition Space: AlxFeyNi1-X-Y (x = 0 → 1, y = 0 → 1-x)
Andrew J. Gellman, Matthew Payne and James B. Miller

3:33 PM
(388b) A Novel Route to Phase Diagrams: Recovering 0 Kelvin Hamiltonian Parameters from High-Temperature Disordered Phases
Elizabeth Decolvenaere, Michael Gordon and Anton Van der Ven

3:51 PM
(388c) High-Throughput Prediction of Finite Temperature Free Energies of Solids
Christopher J. Bartel, Ann M. Deml, Samantha L. Miller, Alan W. Weimer, Stephan Lany, Charles B. Musgrave, Vladan Stevanovic and Aaron Holder

4:09 PM
(388d) First-Principles Based Design of Low Tolerance Factor Perovskites
Sung Gu Kang and Craig J. Fennie

4:27 PM
(388e) Descriptors and Approaches for Characterization and Screening of Inorganic Materials Databases
Nils Zimmermann and Maciej Haranczyk

4:45 PM
(388f) Towards More Complete Energy Landscapes of Zeolites: The Energetics of Zeolites with Comprehensive Ranges of Framework Topologies and Different Substituting Tetrahedral Atoms
Watcharop Chaikittisilp, Koki Muraoka and Tatsuya Okubo

5:03 PM
(388g) Compilation and Analysis of the Computation-Ready, Experimental Metal-Organic Frameworks: Core MOF Version 2.0
Yongchul G. Chung, Benjamin Bucior, Emmanuel Haldoupis, Hongda Zhang, Sanliang Lin, Jiayi Chen, Marija Millisavljevic, Jeffrey S. Camp, Ben Slater, Maciej Haranczyk, David Sholl, J. Ilja Siepmann and Randall Q. Snurr

5:21 PM
(388h) Synthesis of MOF-74(Ni) Using Segmented-Flow and Microwave-Assisted Methods with Chemical Modulation
Gustavo Albuquerque and Gregory S. Herman
See more of this Group/Topical: Materials Engineering and Sciences Division
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